REMARK  Name = BDB026907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.003  -1.063  -0.168  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.788  -2.366  -0.264  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.708  -3.178  -1.408  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.441  -4.361  -1.493  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.268  -4.747  -0.440  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.363  -3.949   0.699  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.630  -2.764   0.787  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.438  -1.309  -0.439  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.737  -2.108   0.118  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.271  -0.145  -0.122  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.766  -0.398  -0.446  0.00  0.00    +0.033 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.610   0.743   0.114  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1        3.500   2.052  -0.383  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.277   3.084   0.149  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.169   2.815   1.183  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.125   4.086   1.841  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        5.293   1.524   1.690  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.516   0.492   1.157  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
BRANCH  11  20
ATOM     19  C   LIG    1        4.430  -1.011  -2.295  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        2.995  -0.621  -1.958  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -1.609  -0.012  -1.140  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -1.264   0.067  -2.322  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.686   0.850  -0.637  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -2.841   1.515   0.627  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.073   2.175   0.597  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.570   2.919   1.675  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.778   3.013   2.820  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -2.533   2.397   2.878  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -4.627   1.955  -0.642  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -5.514   2.330  -0.950  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.052   1.655   1.792  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.792   1.185  -1.399  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8